N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide

C12H24N4O — CID 76986941

IUPACN'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
SMILESCC(CN1CCC(N2CCCC2)C1)C(N)=NO
InChIInChI=1S/C12H24N4O/c1-10(12(13)14-17)8-15-7-4-11(9-15)16-5-2-3-6-16/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyBKGPOGJATDQOJE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.54
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide (PubChem CID 76986941) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
PubChem CID76986941
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
SMILESCC(CN1CCC(N2CCCC2)C1)C(N)=NO
InChIInChI=1S/C12H24N4O/c1-10(12(13)14-17)8-15-7-4-11(9-15)16-5-2-3-6-16/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyBKGPOGJATDQOJE-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]propanimidamide
CID 103369423
N'-hydroxy-2-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
N'-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986945
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 43584570
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63165353
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(methylamino)propanamide
CID 63151183
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 55159335

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide (CID 76986941) is N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide is CC(CN1CCC(N2CCCC2)C1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
The InChIKey is BKGPOGJATDQOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(12(13)14-17)8-15-7-4-11(9-15)16-5-2-3-6-16/h10-11,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide has a molecular weight of 240.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 76986941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).